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1616-52-0 | 1,3-Benzenediol, 4-(2-propen-1-yl)-
CAS No: 1616-52-0 Catalog No: AG001VQ7 MDL No:
Product Description
Catalog Number:
AG001VQ7
Chemical Name:
1,3-Benzenediol, 4-(2-propen-1-yl)-
CAS Number:
1616-52-0
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
4-prop-2-enylbenzene-1,3-diol
InChI:
InChI=1S/C9H10O2/c1-2-3-7-4-5-8(10)6-9(7)11/h2,4-6,10-11H,1,3H2
InChI Key:
VXUCMXVCGIAHHR-UHFFFAOYSA-N
SMILES:
C=CCc1ccc(cc1O)O
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Chemical constituents of Piper betle Linn. (Piperaceae) roots. | Molecules (Basel, Switzerland) 20050831 |
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